Multimodal Crystal Flow: Any-to-Any Modality Generation for Unified Crystal Modeling

arXiv:2602.20210v2 Announce Type: replace Abstract: Crystal modeling spans a family of conditional and unconditional generation tasks, including crystal structure prediction (CSP) and de novo generation (DNG). While recent deep generative models have shown promising performance, they remain largely task-specific, lacking a unified framework that shares crystal representations across tasks. To address this limitation, we propose Multimodal Crystal Flow (MCFlow), a unified multimodal flow model that realizes multiple crystal generation tasks as distinct inference trajectories via independent tim

Source: arXiv cs.LG — read the full report at the original publisher.

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